SCHEMBL16811807

SCHEMBL16811807

Cc1ccc(-c2cc(C(=O)NC3CCN(Cc4ccc(N5CCC(NC(=O)c6ccccc6)CC5)nc4)CC3)ccc2C)cn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 1/20 0.64
▸ MCHR1 Q99705 2/20 0.49
▸ DRD4 P21917 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ CCR3 P51677 1/20 0.49
▸ PRKAB2 O43741 1/20 0.49
▸ PRKAG1 P54619 1/20 0.49
▸ PRKAA2 P54646 1/20 0.49
▸ PRKAA1 Q13131 1/20 0.49
▸ PRKAG3 Q9UGI9 1/20 0.49
▸ PRKAG2 Q9UGJ0 1/20 0.49
▸ PRKAB1 Q9Y478 1/20 0.49
▸ LMNA P02545 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ MAPK14 Q16539 3/20 0.47
▸ RET P07949 2/20 0.47
▸ SLC6A12 P48065 1/20 0.47
▸ SLC6A13 Q9NSD5 1/20 0.47
▸ SIGMAR1 Q99720 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18286515 0.94 SMO (0.62) SMOMCHR1DRD4KMT2AMEN1
SCHEMBL16811786 0.93 SMO (0.60) SMODRD4LMNASMN1; SMN2MAPK14
SCHEMBL16811804 0.92 SMO (0.77) SMOMCHR1DRD4KMT2AMEN1
SCHEMBL16811803 0.92 SMO (0.62) SMOMCHR1DRD4KMT2AMEN1
SCHEMBL16811796 0.92 SMO (0.62) SMOMCHR1DRD4KMT2AMEN1
SCHEMBL16811821 0.91 SMO (0.65) SMOMCHR1DRD4KMT2AMEN1
SCHEMBL16812011 0.90 SMO (0.81) SMODRD4CCR3MAPK14RET
SCHEMBL16812728 0.89 SMO (0.55) SMOMCHR1DRD4KMT2AMEN1
SCHEMBL16811832 0.89 SMO (0.62) SMOMCHR1DRD4KMT2AMEN1
SCHEMBL16811857 0.89 SMO (0.79) SMODRD4PRKAB2PRKAG1PRKAA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150166509-A1 SMOOTHENED MODULATORS AND METHODS OF USE THEREOF UNIV DUKE (US) 2015-06-18 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150166509-A1 SMOOTHENED MODULATORS AND METHODS OF USE THEREOF SMO, SHH, GLI1 SMO 1/4885MCHR1 3063/4885DRD4 4828/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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